SCHEMBL25879099

SCHEMBL25879099

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5ccc6sc7ccccc7c6c5c4)cc3)c(-c3ccccc3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ PIM3 Q86V86 2/20 0.33
▸ LIMK1 P53667 1/20 0.32
▸ F9 P00740 3/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25879094 0.97 CDK4 (0.32) CDK4CCND1PIM3F9PTPN1
SCHEMBL25879734 0.92 HSD17B1 (0.34) PIM3F9PTPN1
SCHEMBL25879014 0.92 CDK4 (0.35) CDK4CCND1PIM3LIMK1F9
SCHEMBL25879158 0.92 CDK4 (0.35) CDK4CCND1PIM3LIMK1F9
SCHEMBL25879162 0.92 CDK4 (0.35) CDK4CCND1PIM3LIMK1F9
SCHEMBL25879729 0.91 HSD17B1 (0.31) PIM3F9PTPN1
SCHEMBL25879102 0.91 CDK4 (0.34) CDK4CCND1PIM3LIMK1F9
SCHEMBL25881735 0.90 F9 (0.33) LIMK1F9
SCHEMBL25879091 0.90 CDK4 (0.36) CDK4CCND1PIM3LIMK1F9
SCHEMBL25878770 0.89 CDK4 (0.39) CDK4CCND1PIM3LIMK1F9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 — — WO disclosed
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